def parse_options_loop_space_groups( argv, call_back, keywords=(), symbols_to_stdout=True, symbols_to_stderr=False, show_cpu_times=True, **kwds): flags = parse_options( argv=argv, keywords=( "Verbose", "Debug", "Threads", "ChunkSize", "ChunkMember", "RandomSeed", "AllSpaceGroups", "ChiralSpaceGroups", "AllSettings", "UnusualSettings") + keywords, case_sensitive=False) return loop_space_groups( argv, flags, call_back, symbols_to_stdout, symbols_to_stderr, show_cpu_times, **kwds)
def run(): show_times = libtbx.utils.show_times() from scitbx.python_utils import command_line flags = command_line.parse_options(sys.argv[1:], [ "RandomSeed", "Verbose", ]) if (not flags.RandomSeed): random.seed(0) assert fftpack.adjust_gridding(13, 5) == 15 assert fftpack.adjust_gridding(13, 5, 6) == 18 assert fftpack.adjust_gridding_triple((13,22,34), 5) == (15,24,36) assert fftpack.adjust_gridding_triple((13,22,34), 5, (6,10,8)) == (18,30,40) f = fftpack.factorization(30, False) assert f.n() == 30 assert tuple(f.factors()) == (2, 3, 5) test_complex_to_complex(flags.Verbose) test_real_to_complex(flags.Verbose) test_complex_to_complex_2d(flags.Verbose) test_complex_to_complex_3d(flags.Verbose) test_real_to_complex_3d(flags.Verbose) exercise_real_to_complex_padding_area() max_transform_size = 300 test_comprehensive_cc_1d(max_transform_size) test_comprehensive_rc_1d(max_transform_size) show_times()
def run(): show_times = libtbx.utils.show_times() from scitbx.python_utils import command_line flags = command_line.parse_options(sys.argv[1:], [ "RandomSeed", "Verbose", ]) if (not flags.RandomSeed): random.seed(0) assert fftpack.adjust_gridding(13, 5) == 15 assert fftpack.adjust_gridding(13, 5, 6) == 18 assert fftpack.adjust_gridding_triple((13, 22, 34), 5) == (15, 24, 36) assert fftpack.adjust_gridding_triple((13, 22, 34), 5, (6, 10, 8)) == (18, 30, 40) f = fftpack.factorization(30, False) assert f.n() == 30 assert tuple(f.factors()) == (2, 3, 5) test_complex_to_complex(flags.Verbose) test_real_to_complex(flags.Verbose) test_complex_to_complex_2d(flags.Verbose) test_complex_to_complex_3d(flags.Verbose) test_real_to_complex_3d(flags.Verbose) exercise_real_to_complex_padding_area() max_transform_size = 300 test_comprehensive_cc_1d(max_transform_size) test_comprehensive_rc_1d(max_transform_size) show_times()
def parse_options_loop_space_groups( argv, call_back, keywords=(), symbols_to_stdout=True, symbols_to_stderr=False, show_cpu_times=True, **kwds): flags = parse_options( argv=argv, keywords=( "Verbose", "Debug", "Threads", "ChunkSize", "ChunkMember", "RandomSeed", "AllSpaceGroups", "ChiralSpaceGroups", "AllSettings", "UnusualSettings") + keywords, case_sensitive=False) return loop_space_groups( argv, flags, call_back, symbols_to_stdout, symbols_to_stderr, show_cpu_times, **kwds)
for space_group_number in range(1, 231): cmd = "cctbx.python %s" % sys.argv[0] \ + " %d,%d,%d " % n +str(space_group_number) print(cmd) sys.stdout.flush() easy_run.call(cmd) print() sys.stdout.flush() if (__name__ == "__main__"): flags = command_line.parse_options(sys.argv[1:], [ "show_asu", "strip", "strip_grid", "strip_polygons", "enantiomorphic", "soft", "multiplicities", "plane_group", ]) assert len(flags.regular_args) > 0 gridding = flags.regular_args[0].split(",") assert len(gridding) in (1, 3) gridding = tuple([int(n) for n in gridding]) if (len(gridding) == 1): gridding *= 3 if (not os.path.isdir("asu_gallery")): os.mkdir("asu_gallery") if (len(flags.regular_args) == 1): if (not flags.enantiomorphic): test_all(gridding) else: